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Chemical ID: 4924260
Chemical ID:
4924260
Name [?]:
None
SMILES [?]:
CC1(C2CCC3(C1C(C2)O)OCCO3)C
InChi [?]:
InChI=1/C12H20O3/c1-11(2)8-3-4-12(14-5-6-15-12)10(11)9(13)7-8/h8-10,13H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,4,5,12,13,9,3,8,7,2,6,10,11,14/E:(1,2)(5,6)(14,15)/rA:15cCCCCCCCCCOOCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s3s8;s8;s6;s11;s12;s6s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 4.80653 |
Area: | 344.229 |
Solvation: | -3.79918 |
Coulombic: | -32.7408 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 212.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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